MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002693
RECORD_TITLE: CHOLESTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H46O
CH$EXACT_MASS: 386.35487
CH$SMILES: C(C2([H])3)([H])(C(C)(C4)C(CC(C4)([H])O)=CC3)CCC(C2([H])1)(C)C([H])(CC1)C(CCCC(C)C)([H])C
CH$IUPAC: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: CAS
57-88-5
CH$LINK: INCHIKEY
HVYWMOMLDIMFJA-DPAQBDIFSA-N
CH$LINK: COMPTOX
DTXSID3022401
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052b-2932000000-1667c83d002043a59fff
PK$NUM_PEAK: 256
PK$PEAK: m/z int. rel.int.
41 2.5 25
43 6.3 63
53 2.2 22
55 18.5 185
56 2.8 28
57 19.4 194
65 3.9 39
67 2.2 22
68 4.1 41
69 23.5 235
70 3.3 33
71 1.65 17
73 2.3 23
75 2.5 25
77 10.9 109
78 0.38 4
79 30.9 309
80 5.2 52
81 59.6 596
82 0.9 9
83 15.1 151
84 3.3 33
85 1.1 11
87 0.23 2
91 46.2 462
92 12.2 122
93 47.9 479
94 1.44 14
95 68 680
96 7.9 79
97 20.1 201
98 0.27 3
99 2.5 25
103 4.8 48
104 6.9 69
105 5.86 59
106 23.4 234
107 78.8 788
108 25 250
109 4.75 48
110 8.5 85
111 15.1 151
112 2.4 24
113 0.3 3
115 9.9 99
116 5.3 53
117 27.2 272
118 1.65 17
119 50.6 506
120 45.2 452
121 57.4 574
122 1.69 17
123 25.6 256
124 14.6 146
125 11.8 118
127 0.5 5
128 10.9 109
129 18.2 182
130 11.5 115
131 4.55 46
132 15.2 152
133 57.3 573
134 20.5 205
135 5.82 58
136 18 180
137 13.9 139
138 5.8 58
139 0.41 4
141 13.7 137
142 12.9 129
143 41.1 411
144 1.95 20
145 99.99 999
146 31.4 314
147 71.3 713
148 2.36 24
149 36 360
150 4.5 45
151 12.3 123
152 0.59 6
153 6 60
154 4 40
155 12.6 126
156 0.89 9
157 27.5 275
158 31.9 319
159 66.8 668
160 4.59 46
161 59.1 591
162 17.5 175
163 40.4 404
164 0.78 8
165 10.5 105
166 3.9 39
167 4.4 44
168 0.29 3
169 6.8 68
170 5.5 55
171 20 200
172 1.1 11
173 32.5 325
174 17 170
175 18.9 189
176 0.87 9
177 15 150
178 13.3 133
179 10 100
180 0.29 3
181 5.1 51
182 2 20
183 7.1 71
184 0.35 4
185 19.8 198
186 9.1 91
187 20.7 207
188 0.67 7
189 11 110
190 4.4 44
191 13 130
192 0.54 5
193 12.7 127
194 4.3 43
195 6.5 65
196 4.5 45
197 10.8 108
198 5.5 55
199 22.5 225
200 1.27 13
201 18.8 188
202 6.7 67
203 6.5 65
204 0.28 3
205 12.6 126
206 11.2 112
207 6.7 67
208 0.3 3
209 5.6 56
210 3 30
211 12.1 121
212 0.54 5
213 65.9 659
214 21 210
215 17.4 174
216 0.55 6
217 7.9 79
218 4.9 49
219 11.2 112
220 0.54 5
221 4 40
223 3 30
224 2.1 21
225 0.45 5
226 4.2 42
227 15.6 156
228 17.6 176
229 2.1 21
230 6.1 61
231 28 280
232 9.6 96
233 0.62 6
234 3.6 36
235 3 30
237 2.1 21
239 0.52 5
240 3.4 34
241 7.6 76
242 4 40
243 0.42 4
244 3.5 35
245 10.7 107
246 14.4 144
247 6 60
248 15.4 154
249 4.2 42
251 6 60
252 0.3 3
253 9.1 91
254 5.8 58
255 66.2 662
256 1.65 17
257 6.6 66
258 3.3 33
259 8.4 84
260 1.96 20
261 11.4 114
262 3.7 37
267 3.2 32
269 0.56 6
270 3.2 32
271 8.8 88
272 3.7 37
273 2.04 20
274 17.4 174
275 58.2 582
276 15.7 157
277 0.29 3
281 2 20
283 7.3 73
284 3.2 32
285 0.33 3
286 2.5 25
287 4 40
288 3.2 32
297 0.28 3
298 2 20
299 3.4 34
300 5.2 52
301 3.65 37
302 9.6 96
303 2 20
311 3.5 35
312 0.29 3
313 6.4 64
314 9.4 94
315 7.2 72
316 0.15 2
317 1.7 17
325 2.9 29
326 10.3 103
327 0.78 8
328 4.1 41
329 5.7 57
330 2.1 21
336 0.19 2
338 2.7 27
339 4.5 45
340 3.7 37
341 0.26 3
342 3.5 35
343 2.3 23
349 2.3 23
350 0.26 3
351 7.5 75
352 4.8 48
353 64 640
354 1.94 19
355 5.5 55
356 2.6 26
362 2.8 28
364 0.61 6
365 3.4 34
366 15.1 151
367 8.5 85
368 99 990
369 33 330
370 7.5 75
371 28.5 285
372 0.9 9
373 3 30
377 1.9 19
382 5 50
384 0.7 7
385 4.3 43
386 43.1 431
387 14.4 144
388 3.3 33
//
